SCHEMBL7979769

SCHEMBL7979769

Cc1ccc(Nc2nc3cc(Cl)ccc3n3cnc(P(=O)(O)O)c23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 2/20 0.38
KMT2A Q03164 2/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
LYN P07948 1/20 0.36
BTK Q06187 1/20 0.36
THRB P10828 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7970605 0.92 KMT2A (0.42) LCKRXFP1NPC1KMT2ARAB9A
SCHEMBL7983034 0.89 LCK (0.40) LCKNPC1KMT2ARAB9ALYN
SCHEMBL7982142 0.88 LCK (0.41) LCKMAPTGAA
SCHEMBL7981479 0.88 LCK (0.35) LCKNPC1KMT2ARAB9AALDH1A1
SCHEMBL7980350 0.84 LCK (0.45) LCK
SCHEMBL7979950 0.82 LCK (0.52) LCK
SCHEMBL7980759 0.80 LCK (0.41) LCKKMT2ARAB9ASMN1; SMN2POLB
SCHEMBL7983562 0.76 LCK (0.39) LCKMAPT
SCHEMBL7969561 0.76 LCK (0.41) LCKMAPTGAA
SCHEMBL7970038 0.75 LCK (0.64) LCKLYNBTK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US claimed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed